4-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanamide

C10H20N2O3 — CID 104761417

IUPAC4-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
SMILESCOC1(CNC(=O)CCCN)CCOC1
InChIInChI=1S/C10H20N2O3/c1-14-10(4-6-15-8-10)7-12-9(13)3-2-5-11/h2-8,11H2,1H3,(H,12,13)
InChIKeyKNOSAFLPEVQGNG-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.35
Rot. Bonds6

About 4-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanamide

4-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanamide (PubChem CID 104761417) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
PubChem CID104761417
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name4-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
SMILESCOC1(CNC(=O)CCCN)CCOC1
InChIInChI=1S/C10H20N2O3/c1-14-10(4-6-15-8-10)7-12-9(13)3-2-5-11/h2-8,11H2,1H3,(H,12,13)
InChIKeyKNOSAFLPEVQGNG-UHFFFAOYSA-N
XLogP-0.35
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-[(3-methoxyoxolan-3-yl)methyl]hexanamide
CID 104761461
4-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
CID 104766199
5-[(3-methoxyoxolan-3-yl)methylamino]-5-oxopentanoic acid
CID 104759098
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104761415
4-(2-aminoethyl)-N-[(3-methoxyoxolan-3-yl)methyl]heptanamide
CID 104761558
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
3-(tert-butylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propanamide
CID 104761520
N-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 104761435
propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
CID 116657841
N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 104709004
N-(cyanomethyl)-N'-[(3-methoxyoxolan-3-yl)methyl]oxamide
CID 113450295
2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]acetamide
CID 104764443

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanamide?
The IUPAC name of 4-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanamide (CID 104761417) is 4-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanamide.
What is the SMILES notation for 4-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanamide?
The canonical SMILES for 4-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanamide is COC1(CNC(=O)CCCN)CCOC1.
What is the InChIKey of 4-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanamide?
The InChIKey is KNOSAFLPEVQGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-14-10(4-6-15-8-10)7-12-9(13)3-2-5-11/h2-8,11H2,1H3,(H,12,13).
What are the key properties of 4-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanamide?
4-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanamide has a molecular weight of 216.28 g/mol, XLogP of -0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanamide is sourced from PubChem (CID 104761417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).